methyl 4-(4-butylphenyl)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-butylphenyl)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-butylphenyl)-2-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-butylphenyl)-2-[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-butylphenyl)-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-butylphenyl)-2-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C

InChI

InChI=1S/C27H26N2O4S/c1-4-5-9-18-12-14-19(15-13-18)21-16-34-26(23(21)27(31)32-3)28-25(30)22-17(2)33-29-24(22)20-10-7-6-8-11-20/h6-8,10-16H,4-5,9H2,1-3H3,(H,28,30)